SCHEMBL81659

SCHEMBL81659

Cc1cccc(C=CCO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.55
PTGS2 P35354 3/20 0.55
ALOX5 P09917 1/20 0.55
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RELA Q04206 1/20 0.49
FBP1 P09467 1/20 0.49
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
ACHE P22303 2/20 0.42
RHOA P61586 1/20 0.41
IDO1 P14902 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL81658 1.00 PTGS1 (0.55) PTGS1PTGS2ALOX5ALDH1A1CYP3A4
SCHEMBL9281030 0.85 ALDH1A1 (0.59) PTGS1ALDH1A1CYP3A4RECQLFBP1
SCHEMBL9272281 0.85 ALDH1A1 (0.59) PTGS1ALDH1A1CYP3A4RECQLFBP1
SCHEMBL7643195 0.85 PTGS1 (0.51) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL8442071 0.82 TP53 (0.52) PTGS1PTGS2ALOX5TP53TDP1
Cinnamic Alcohol SCHEMBL27980025 0.82 PAM (0.48) PTGS1PTGS2ALOX5ALDH1A1CYP3A4
SCHEMBL8442069 0.82 TP53 (0.52) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL19227545 0.82 TP53 (0.52) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL1795132 0.80 PTGS1 (0.69) PTGS1PTGS2ALOX5ALDH1A1TP53
SCHEMBL21847980 0.80 PTGS1 (0.69) PTGS1PTGS2ALOX5ALDH1A1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947754-B Use of bidentate phosphite ligands in C-F bond building reactions 郑州大学 2021-02-26 CN claimed
CN-108993600-B Use of bidentate phosphite ligands in C-B bond building reactions 郑州大学 2021-01-22 CN claimed
CN-108993600-A Application of the bidentate phosphite ester ligand in the building reaction of C-B key 郑州大学 2018-12-14 CN claimed
CN-108947754-A Application of the bidentate phosphite ester ligand in the building reaction of C-F key 郑州大学 2018-12-07 CN claimed
US-4021411-A Production of high molecular weight α,β-unsaturated aldehydes BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-05-03 US claimed
CN-113429249-B Method for synthesizing chiral 4-hydroxy amino acid derivative 陕西师范大学 2023-06-16 CN disclosed
CN-113429249-A Method for synthesizing chiral 4-hydroxy amino acid derivative 陕西师范大学 2021-09-24 CN disclosed
CN-110015947-B Method for synthesizing unsaturated primary alcohol 南京理工大学 2021-08-03 CN disclosed
CN-111233760-B Synthetic method of 2, 4-diaryl quinoline compound 浙江工业大学 2021-07-27 CN disclosed
CN-113135816-A Method for synthesizing photoactive bromohydrin compound 常州大学 2021-07-20 CN disclosed
CN-108947754-B Use of bidentate phosphite ligands in C-F bond building reactions 郑州大学 2021-02-26 CN disclosed
CN-108993600-B Use of bidentate phosphite ligands in C-B bond building reactions 郑州大学 2021-01-22 CN disclosed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP disclosed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed
US-4058536-A Production of high molecular weight α,β-unsaturated aldehydes BASF AKTIENGESELLSCHAFT (DT) 1977-11-15 US disclosed
US-4021411-A Production of high molecular weight α,β-unsaturated aldehydes BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-05-03 US disclosed
US-3965193-A Production of high molecular weight α,β-unsaturated aldehydes BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-06-22 US disclosed
US-3954804-A Production of high molecular weight unsaturated ketones BASF AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed
US-3932462-A Manufacture of unsaturated ketones BASF AKTIENGESELLSCHAFT (DT) 1976-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT PTGS1 367/4885PTGS2 527/4885ALOX5 293/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.